CID 103439

1-heptanesulfonyl chloride, 3,3,4,4,5,5,6,6,7,7,7-undecafluoro-

Structural Information

Molecular Formula
C7H4ClF11O2S
SMILES
C(CS(=O)(=O)Cl)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H4ClF11O2S/c8-22(20,21)2-1-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)19/h1-2H2
InChIKey
IHLPCLQHYYNLIN-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

395.9445 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.95178 163.3
[M+Na]+ 418.93372 172.8
[M-H]- 394.93722 151.4
[M+NH4]+ 413.97832 174.8
[M+K]+ 434.90766 167.9
[M+H-H2O]+ 378.94176 151.4
[M+HCOO]- 440.94270 158.0
[M+CH3COO]- 454.95835 213.7
[M+Na-2H]- 416.91917 166.6
[M]+ 395.94395 151.7
[M]- 395.94505 151.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.